Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | CTSG | P08311 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11083344 | 0.93 | TDP1 (0.48) | TDP1CES1SRCPPARAPPARG | |
| SCHEMBL11083343 | 0.86 | CES1 (0.47) | TDP1CES1SRCPPARATSHR | |
| SCHEMBL15381998 | 0.86 | TSHR (0.47) | CES1TSHRLMNAALDH1A1PRSS1 | |
| SCHEMBL14514222 | 0.86 | TSHR (0.47) | CES1TSHRLMNAALDH1A1PRSS1 | |
| SCHEMBL10384825 | 0.85 | LMNA (0.46) | TDP1CES1SRCPPARATSHR | |
| SCHEMBL3469754 | 0.83 | GAA (0.46) | TDP1CES1SRCPPARAPPARG | |
| SCHEMBL14514224 | 0.83 | LMNA (0.55) | TDP1CES1SRCTSHRLMNA | |
| SCHEMBL13139616 | 0.81 | PPARA (0.40) | TDP1CES1SRCPPARAPPARG | |
| SCHEMBL10942987 | 0.81 | PPARA (0.46) | CES1PPARAPPARGTSHRLMNA | |
| SCHEMBL14819981 | 0.81 | TDP1 (0.38) | TDP1CES1SRCPPARAPPARG |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4960746-A | A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE | CIBA-GEIGY CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |